CID 201390

5896-89-9

Structural Information

Molecular Formula
C15H25NO
SMILES
CCCCCCCCOC1=C(C=C(C=C1)N)C
InChI
InChI=1S/C15H25NO/c1-3-4-5-6-7-8-11-17-15-10-9-14(16)12-13(15)2/h9-10,12H,3-8,11,16H2,1-2H3
InChIKey
SEHGINBIAYLEJD-UHFFFAOYSA-N
Compound name
3-methyl-4-octoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

235.19362 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.20090 158.7
[M+Na]+ 258.18284 164.6
[M-H]- 234.18634 161.3
[M+NH4]+ 253.22744 176.6
[M+K]+ 274.15678 161.3
[M+H-H2O]+ 218.19088 151.9
[M+HCOO]- 280.19182 181.9
[M+CH3COO]- 294.20747 198.0
[M+Na-2H]- 256.16829 161.5
[M]+ 235.19307 161.3
[M]- 235.19417 161.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe